Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 7/20 | 0.53 |
| ▸ | CCND1 | P24385 | 7/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.51 |
| ▸ | PLG | P00747 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5635097 | 0.87 | HTR2C (0.53) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL18856954 | 0.83 | HTR2C (0.56) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL28833477 | 0.83 | HTR2A (0.53) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL30202125 | 0.82 | P2RX7 (0.53) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL5791630 | 0.82 | P2RX7 (0.53) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL18856949 | 0.82 | HTR2A (0.55) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL9994959 | 0.82 | P2RX7 (0.53) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL5991839 | 0.81 | HTR2C (0.54) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL9231907 | 0.81 | HTR2A (0.54) | CDK4CCND1HTR2AHTR2CP2RX7 | |
| SCHEMBL18941301 | 0.80 | HTR2A (0.53) | CDK4CCND1HTR2AHTR2CPLG |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| EP-1192165-B1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |
| EP-1192165-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000077010-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |